MolNFT v1 · #106866 · protein
Ketol-acid reductoisomerase from alicyclobacillus acidocaldarius
4TSK: “Ketol-acid reductoisomerase from alicyclobacillus acidocaldarius”. X-ray diffraction, 2 ligands (NDP, MG), 3 pockets (best druggability 0.56). MolNFT v1 #106866 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4TSK
- Type
- protein
- Length
- 333 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ketol-acid reductoisomerase
- EC
- 1.1.1.86
- UniProt
- C8WR67
- Ligands
- NDP, MG
- Pockets
- 3 · best druggability 0.56
Structure
x-ray diffraction · 1 distinct chain · 60% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ketol-acid reductoisomerase (EC 1.1.1.86) | protein | 333 | 60% helix, 12% strand | C8WR67 |
Ligands and binding sites
- NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
- MG · Magnesium ion · metal · 3 copies · chains A
- TLA · L(+)-tartaric acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 393 | 0.56 | 0.74 | 49 | MG, TLA, NDP |
| 2 | 232 | 0.46 | 0.73 | 23 | empty |
| 3 | 114 | 0.36 | 0.73 | 14 | empty |
Compared structures
- 4TSK · Ketol-acid reductoisomerase from Alicyclobacillus acidocaldarius · the same entry in another collection · chain A against A, TM-score 1.00
- C8WR67 · AlphaFold monomer V2.0 prediction for ketol-acid reductoisomerase (NADP(+)) (C8WR67) · a predicted model of the same protein · chain A against A, TM-score 0.98
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt C8WR67
- Elsewhere: RCSB PDB 4TSK · PDBe 4TSK · UniProt C8WR67
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